3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine

C56H40N4 — CID 144738838

About 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine

3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine (PubChem CID 144738838) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
• PubChem CID: 144738838
• Molecular Formula: C56H40N4
• Molecular Weight: 768.96 g/mol
• Exact Mass: 768.33
• IUPAC Name: 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
• SMILES: C1=CC(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)=CNC1
• InChI: InChI=1S/C56H40N4/c1-9-39(47-17-5-21-57-35-47)25-43(13-1)51-29-52(44-14-2-10-40(26-44)48-18-6-22-58-36-48)32-55(31-51)56-33-53(45-15-3-11-41(27-45)49-19-7-23-59-37-49)30-54(34-56)46-16-4-12-42(28-46)50-20-8-24-60-38-50/h1-23,25-38,60H,24H2
• InChIKey: MDVZJAHEJGFVSV-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 50.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.96
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine?

The IUPAC name of 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine (CID 144738838) is 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine?

The canonical SMILES for 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine is C1=CC(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)=CNC1.

What is the InChIKey of 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine?

The InChIKey is MDVZJAHEJGFVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-9-39(47-17-5-21-57-35-47)25-43(13-1)51-29-52(44-14-2-10-40(26-44)48-18-6-22-58-36-48)32-55(31-51)56-33-53(45-15-3-11-41(27-45)49-19-7-23-59-37-49)30-54(34-56)46-16-4-12-42(28-46)50-20-8-24-60-38-50/h1-23,25-38,60H,24H2.

What are the key properties of 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine?

3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 768.96 g/mol, XLogP of 13.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 144738838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).